MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325775

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
53N	3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid	A	3DN5	0.7
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.71
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.74
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.8
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.8
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.7
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.7
MTB		A,B	1SRF	0.72
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.71
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.82
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.82
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.82
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.82
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.82
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.73
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.76
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.76
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.76
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.76
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.76
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.76
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.76
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.76
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.76
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.76
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.76
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.72
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.81
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.72
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.71
DMB		A,B	1SRI	0.74
NIY	META-NITRO-TYROSINE	A	2ADP	0.72
NIY	META-NITRO-TYROSINE	A	3DIV	0.72
NIY	META-NITRO-TYROSINE	A	2H5U	0.72
NIY	META-NITRO-TYROSINE	A	1K4Q	0.72
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.72
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	4LBD	0.7
961	3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXX	0.7
BPN	PARANITROBENZYL ALCOHOL	H,L	1YEG	0.74
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.72
NID	4-NITRO-INDEN-1-ONE	A,B	1DOH	0.73
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.7
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.75
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.72
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.8
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3GT4	0.7
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3T	0.7
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3D	0.7
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3S	0.7
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E79	0.7
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	1PX0	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A,B,C,D	2ZHM	0.72
RPN	(R)-1-PARA-NITRO-PHENYL-2-AZIDO- ETHANOL	A	2ZHN	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.77
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.72
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.72
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.72
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.76
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.77
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.77
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.77
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.77
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.73
IBR		A	9EST	0.7
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.79
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.79
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.79
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.72
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.74
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.79
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.71
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.84
MHB		A,B	1SRG	0.72
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.71
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.71
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.74
394	R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID	A	1EXA	0.7
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.73
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.73
HAB		A,B	1SRE	0.71
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.7
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.7
MR2	3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSM	0.75
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.91
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.73
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.74
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.76